SCHEMBL5190740

SCHEMBL5190740

CC(NC(=O)CC1CN(C)CCN1c1cc(-n2ccnc2)ncn1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 18/20 0.46
SMYD3 Q9H7B4 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5722152 0.85 NOS2 (0.52) NOS2
SCHEMBL5190747 0.83 NOS2 (0.51) NOS2
SCHEMBL5192117 0.73 NOS2 (0.41) NOS2
SCHEMBL5190579 0.72 NOS2 (0.55) NOS2
SCHEMBL6320312 0.71 NOS2 (0.42) NOS2
SCHEMBL5191483 0.70 NOS2 (0.51) NOS2
SCHEMBL5189808 0.70 NOS2 (0.53) NOS2
SCHEMBL5192097 0.70 NOS2 (0.42) NOS2
SCHEMBL5193261 0.70 NOS2 (0.73) NOS2
SCHEMBL5213731 0.69 NOS2 (0.60) NOS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754703-A2 N-Heterocyclic derivatives as nos inhibitors Berlex, Inc. (US) 2007-02-21 EP claimed